| CAS Number | 49563-87-3 |
| Catalog Number | AG00IMGO(AGN-PC-0S3NEC) |
| Chemical Name | 1,4-Diazabicyclo[2.2.2]octane, dihydrochloride |
| IUPAC Name | 1,4-diazabicyclo[2.2.2]octane;dihydrochloride |
| InChI | InChI=1S/C6H12N2.2ClH/c1-2-8-5-3-7(1)4-6-8;;/h1-6H2;2*1H |
| InChI Key | FXNCMDQKBKIDGU-UHFFFAOYSA-N |
| MDL Number | MFCD30749261 |
| Molecular Formula | C6H14Cl2N2 |
| Molecular Weight | 185.0948 |
| SMILES | [H]Cl.[H]Cl.N1(CC2)CCN2CC1 |
| Synonyms | 1,4-diazabicyclo[2.2.2]octane dihydrochloride,
49563-87-3,
SCHEMBL11381190,
D5251,
|
| Complexity | 61.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.092g/mol |
| Monoisotopic Mass | 184.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 6.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number